%chk=000197644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197644

0 1
Br 5.793018 0.307044 -3.260425
Cl -3.811720 -2.878254 0.078523
Cl -5.802983 1.673131 -1.869694
S -1.061769 -1.458493 0.725225
O -1.143692 -1.291200 2.151284
O -0.888767 -2.765787 0.141474
O 1.357202 0.921264 2.468589
O -0.575379 2.063783 2.370491
N 0.335618 -0.539091 0.229800
N -0.976053 1.440749 -0.320055
C 0.251364 0.903609 0.338704
C -2.338458 -0.601471 -0.048351
C 1.218263 -1.087832 -0.833412
C -2.188299 0.758666 -0.410992
C 2.656888 -0.655119 -0.675872
C -3.576359 -1.214830 -0.305431
C 0.231985 1.350157 1.831594
C -3.283322 1.478250 -0.974013
C -4.651404 -0.542935 -0.870638
C -4.476246 0.814635 -1.186781
C 3.416912 -0.402432 -1.829162
C 3.249572 -0.539855 0.589708
C 4.757391 -0.042202 -1.689355
C 4.593947 -0.177474 0.705250
C 5.362355 0.073966 -0.436680
H 1.145121 1.410482 -0.144846
H 0.832702 -0.822136 -1.845921
H 1.174600 -2.211631 -0.763557
H -0.994169 2.457829 -0.441792
H -3.181627 2.532239 -1.229204
H -5.602279 -1.042729 -1.059848
H 2.968480 -0.492888 -2.819001
H 2.650530 -0.722809 1.489276
H 5.049643 -0.092414 1.692156
H 1.342524 1.136850 3.447276
H 6.412213 0.353031 -0.343220


%chk=000197644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197644

0 1
Br 5.544920 0.577454 -3.604232
Cl -4.028473 -2.737909 0.532409
Cl -5.522050 1.704485 -2.385956
S -1.003947 -1.562404 0.949880
O -1.224363 -1.400716 2.543429
O -0.751719 -3.018666 0.285266
O 0.889106 0.977462 2.949699
O -1.159790 1.937359 2.392379
N 0.527897 -0.551594 0.514169
N -0.765763 1.342035 -0.343492
C 0.240140 0.885025 0.622190
C -2.319248 -0.579290 0.000554
C 1.188794 -1.005633 -0.737476
C -2.005018 0.722662 -0.505474
C 2.661552 -0.604732 -0.714133
C -3.604592 -1.131497 -0.182730
C -0.136904 1.300894 2.077229
C -3.013767 1.400495 -1.252367
C -4.600352 -0.459454 -0.910356
C -4.264100 0.804254 -1.438544
C 3.298033 -0.239139 -1.926510
C 3.407537 -0.629606 0.490535
C 4.671841 0.074816 -1.915234
C 4.781771 -0.308733 0.476546
C 5.432523 0.045494 -0.729455
H 1.195643 1.401365 0.404128
H 0.697558 -0.604861 -1.649424
H 1.087440 -2.107417 -0.756996
H -0.685969 2.300521 -0.684788
H -2.809022 2.395154 -1.659517
H -5.590370 -0.896803 -1.049962
H 2.731504 -0.208225 -2.863124
H 2.898370 -0.888566 1.424131
H 5.358559 -0.332406 1.407190
H 0.622600 1.198607 3.882750
H 6.497460 0.293671 -0.741612


